A qubit is the delicate, information-processing heart of a quantum device. In the coming decades, advances in quantum ...

To address these limitations, we introduce a novel framework: the Molecular Merged Hypergraph Neural Network (MMHNN). MMHNN ...

An international research team led by the University of Vienna has succeeded in developing a new method to directly measure partial charges in molecules. The results, now published in Nature, provide ...

Computational chemistry, or cheminformatics, combines computer simulations, chemistry theory, and information science to analyze complex chemical problems and predict molecular behaviors.

The MIT model predicts molecular binding affinity at newfound speed and accuracy, offering a powerful tool for commercial drug discovery.

Scientists developed a method to directly measure partial charges in molecules, revealing insights for drug design and advanced materials.

Model allowed researchers to better understand the complex molecular mechanisms that determine the robustness, flexibility, and adaptability of the aging brain.

Molecular lesion data in LR-MDS prognostic models reduce the significance of traditional parameters like bone marrow blast percentage. Molecular data altered risk stratification for 30% of ...